2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile

C11H8N4O — CID 121214980

IUPAC2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile
SMILESN#CCn1ccn2nc(-c3ccoc3)cc12
InChIInChI=1S/C11H8N4O/c12-2-3-14-4-5-15-11(14)7-10(13-15)9-1-6-16-8-9/h1,4-8H,3H2
InChIKeyWHBALAJDQSDGCK-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.92
Rot. Bonds2

About 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile

2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile (PubChem CID 121214980) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile
PubChem CID121214980
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile
SMILESN#CCn1ccn2nc(-c3ccoc3)cc12
InChIInChI=1S/C11H8N4O/c12-2-3-14-4-5-15-11(14)7-10(13-15)9-1-6-16-8-9/h1,4-8H,3H2
InChIKeyWHBALAJDQSDGCK-UHFFFAOYSA-N
XLogP1.92
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyanomethyl)imidazo[2,1-e]pyrazole-6-carbonitrile
CID 121215043
2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 95911598
3-(6-thiophen-3-ylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine
CID 121214960
2,4-dichloro-6-(furan-3-yl)pyrimidine
CID 10488849
3-(furan-3-yl)-1-phenylpyrazol-5-amine
CID 43158974
2,6-bis(furan-3-yl)pyridine
CID 134967071
1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide
CID 121215034
1-(cyanomethyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 121210878
1-methyl-6-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 121214917
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile
CID 132602686
2-(6-oxopyridazin-1-yl)acetonitrile
CID 62849601

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile (CID 121214980) is 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile is N#CCn1ccn2nc(-c3ccoc3)cc12.
What is the InChIKey of 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile?
The InChIKey is WHBALAJDQSDGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-2-3-14-4-5-15-11(14)7-10(13-15)9-1-6-16-8-9/h1,4-8H,3H2.
What are the key properties of 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile?
2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile has a molecular weight of 212.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)imidazo[2,1-e]pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 121214980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).